Ab initio calculations on the lowest singlet and triplet surfaces for CSiF2

A. C. Hopkinson, M. H. Lien, I. C. Csizmadia

Research output: Contribution to journalArticle

4 Citations (Scopus)

Abstract

Ab initio molecular orbital calculations on isomers with the molecular formula CSiF2 are reported at the 3-21G//3-21G and 6-31G*//3-21G levels of theory for both the singlet and triplet energy surfaces and the results are compared with those for the CSiH2 surfaces.

Original languageEnglish
Pages (from-to)246-249
Number of pages4
JournalChemical Physics Letters
Volume109
Issue number3
DOIs
Publication statusPublished - Aug 17 1984

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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